A1BGH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.46Å	1.46Å
N	C1	sing	1.37Å	1.37Å	Aromatic
C1	C2	doub	1.35Å	1.37Å	Aromatic
N1	C2	sing	1.34Å	1.37Å	Aromatic
C3	N1	doub	1.30Å	1.31Å	Aromatic
N	C3	sing	1.35Å	1.36Å	Aromatic
C4	C3	sing	1.51Å	1.49Å
C4	C5	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.53Å
C7	N2	sing	1.47Å	1.49Å
N2	C8	sing	1.47Å	1.47Å
C8	C4	sing	1.53Å	1.53Å
C2	C9	sing	1.51Å	1.50Å
F	C9	sing	1.40Å	1.31Å
F1	C9	sing	1.40Å	1.32Å
C9	F2	sing	1.40Å	1.32Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C1	H3	sing	1.08Å	1.08Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
N2	H11	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	C1	125.0°	126.4°
C	N	C3	128.0°	126.4°
N	C	H1	109.5°	109.5°
N	C	H	109.5°	109.5°
N	C	H2	109.5°	109.5°
N	C1	C2	106.1°	106.8°
C1	N	C3	107.0°	107.2°
N	C1	H3	127.0°	126.5°
C1	C2	N1	109.6°	108.0°
C1	C2	C9	129.1°	126.0°
C2	C1	H3	126.9°	126.6°
C2	N1	C3	105.9°	109.3°
N1	C2	C9	121.3°	126.0°
N1	C3	N	111.4°	108.7°
N1	C3	C4	124.2°	125.7°
N	C3	C4	124.3°	125.6°
C3	C4	C5	111.5°	109.5°
C3	C4	C8	109.9°	109.5°
C3	C4	H4	109.0°	109.5°
C4	C5	C6	111.9°	109.2°
C5	C4	C8	109.4°	109.2°
C5	C4	H4	108.5°	109.5°
C4	C5	H5	108.8°	109.5°
C4	C5	H6	108.8°	109.6°
C5	C6	C7	110.6°	109.2°
C6	C5	H5	108.9°	109.5°
C6	C5	H6	108.8°	109.5°
C5	C6	H7	109.2°	109.5°
C5	C6	H8	109.2°	109.6°
C6	C7	N2	111.3°	109.5°
C7	C6	H7	109.1°	109.5°
C7	C6	H8	109.2°	109.5°
C6	C7	H9	109.0°	109.5°
C6	C7	H10	109.0°	109.5°
C7	N2	C8	112.1°	111.2°
N2	C7	H9	109.0°	109.4°
N2	C7	H10	109.0°	109.5°
C7	N2	H11	108.8°	111.0°
N2	C8	C4	110.4°	109.6°
N2	C8	H12	109.3°	109.5°
N2	C8	H13	109.2°	109.4°
C8	N2	H11	108.8°	111.0°
C8	C4	H4	108.5°	109.6°
C4	C8	H12	109.2°	109.5°
C4	C8	H13	109.3°	109.4°
C2	C9	F	112.7°	109.4°
C2	C9	F1	112.0°	109.5°
C2	C9	F2	112.5°	109.5°
F	C9	F1	106.8°	109.5°
F	C9	F2	104.9°	109.4°
F1	C9	F2	107.4°	109.5°
H5	C5	H6	109.5°	109.6°
H7	C6	H8	109.5°	109.5°
H9	C7	H10	109.5°	109.4°
H12	C8	H13	109.5°	109.4°
H1	C	H	109.4°	109.5°
H1	C	H2	109.4°	109.5°
H	C	H2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	C1	C3	178.3°	180.0°
C	N	C1	C2	177.6°	180.0°
C	N	C3	N1	177.6°	180.0°
C	N	C3	C4	2.6°	0.0°
C	N	C1	H3	2.4°	0.1°
N	C	H1	H	120.0°	120.0°
N	C	H1	H2	120.0°	120.0°
N	C	H	H2	120.0°	120.0°
N	C1	C2	H3	180.0°	179.9°
N	C1	C2	N1	0.5°	0.0°
C1	N	C3	N1	0.6°	0.0°
C1	N	C3	C4	179.2°	180.0°
N	C1	C2	C9	178.7°	180.0°
C1	N	C	H1	180.0°	90.0°
C1	N	C	H	60.0°	150.0°
C1	N	C	H2	60.0°	30.0°
C1	C2	N1	C9	179.3°	179.9°
C1	C2	N1	C3	0.1°	0.1°
C2	C1	N	C3	0.6°	0.0°
C1	C2	C9	F	122.6°	65.0°
C1	C2	C9	F1	2.1°	54.9°
C1	C2	C9	F2	118.9°	175.0°
C2	N1	C3	N	0.3°	0.0°
C2	N1	C3	C4	179.5°	180.0°
N1	C2	C9	F	58.3°	115.1°
N1	C2	C9	F1	178.8°	125.0°
N1	C2	C9	F2	60.2°	4.9°
N1	C2	C1	H3	179.5°	180.0°
N1	C3	N	C4	179.8°	180.0°
N1	C3	C4	C5	73.6°	60.0°
N1	C3	C4	C8	47.9°	59.8°
C3	N1	C2	C9	179.1°	180.0°
N1	C3	C4	H4	166.7°	180.0°
N	C3	C4	C5	106.6°	120.0°
N	C3	C4	C8	131.9°	120.2°
N	C3	C4	H4	13.1°	0.0°
C3	N	C1	H3	179.4°	179.9°
C3	N	C	H1	2.1°	90.0°
C3	N	C	H	122.1°	30.0°
C3	N	C	H2	117.9°	150.0°
C3	C4	C5	C8	121.8°	119.9°
C3	C4	C5	H4	120.1°	120.1°
C3	C4	C5	C6	176.3°	177.6°
C3	C4	C8	N2	179.7°	179.1°
C3	C4	C8	H4	119.1°	120.2°
C3	C4	C5	H5	63.3°	62.5°
C3	C4	C5	H6	55.9°	57.7°
C3	C4	C8	H12	59.6°	59.0°
C3	C4	C8	H13	60.1°	60.9°
C4	C5	C6	H5	120.4°	119.8°
C4	C5	C6	H6	120.4°	120.0°
C4	C5	C6	C7	52.7°	57.7°
C5	C4	C8	N2	57.6°	59.2°
C5	C4	C8	H4	118.2°	119.9°
C4	C5	H5	H6	118.9°	120.2°
C4	C5	C6	H7	67.5°	62.2°
C4	C5	C6	H8	172.8°	177.6°
C5	C4	C8	H12	177.7°	60.9°
C5	C4	C8	H13	62.6°	179.2°
C5	C6	C7	H7	120.2°	120.0°
C5	C6	C7	H8	120.2°	120.0°
C5	C6	C7	N2	53.3°	59.2°
C6	C5	C4	C8	54.5°	57.7°
C6	C5	C4	H4	63.7°	62.3°
C6	C5	H5	H6	118.9°	120.1°
C5	C6	H7	H8	119.5°	120.2°
C5	C6	C7	H9	173.6°	179.2°
C5	C6	C7	H10	67.0°	60.8°
C6	C7	N2	H9	120.3°	120.0°
C6	C7	N2	H10	120.3°	120.1°
C6	C7	N2	C8	58.1°	61.8°
C7	C6	C5	H5	173.0°	177.5°
C7	C6	C5	H6	67.7°	62.3°
C7	C6	H7	H8	119.5°	120.1°
C6	C7	H9	H10	119.1°	120.0°
C6	C7	N2	H11	62.3°	62.3°
C7	N2	C8	H11	120.4°	124.1°
C7	N2	C8	C4	60.3°	61.8°
N2	C7	C6	H7	66.8°	60.7°
N2	C7	C6	H8	173.5°	179.2°
N2	C7	H9	H10	119.1°	119.9°
C7	N2	C8	H12	179.6°	58.3°
C7	N2	C8	H13	59.9°	178.2°
N2	C8	C4	H12	120.2°	120.1°
N2	C8	C4	H13	120.1°	120.0°
N2	C8	C4	H4	60.6°	60.7°
C8	N2	C7	H9	178.4°	178.2°
C8	N2	C7	H10	62.2°	58.3°
N2	C8	H12	H13	119.6°	119.9°
C8	C4	C5	H5	174.9°	177.5°
C8	C4	C5	H6	65.9°	62.3°
C4	C8	H12	H13	119.6°	119.9°
C4	C8	N2	H11	60.1°	62.3°
C2	C9	F	F1	123.4°	120.0°
C2	C9	F	F2	122.8°	120.0°
C2	C9	F1	F2	124.0°	120.1°
C9	C2	C1	H3	1.3°	0.1°
F	C9	F1	F2	112.1°	120.0°
H4	C4	C5	H5	56.7°	57.5°
H4	C4	C5	H6	176.0°	177.7°
H4	C4	C8	H12	59.6°	179.2°
H4	C4	C8	H13	179.3°	59.3°
H5	C5	C6	H7	52.9°	57.6°
H5	C5	C6	H8	66.8°	62.5°
H6	C5	C6	H7	172.2°	177.8°
H6	C5	C6	H8	52.4°	57.6°
H7	C6	C7	H9	53.4°	59.3°
H7	C6	C7	H10	172.9°	179.2°
H8	C6	C7	H9	66.2°	60.8°
H8	C6	C7	H10	53.2°	59.1°
H9	C7	N2	H11	58.0°	57.7°
H10	C7	N2	H11	177.4°	177.6°
H12	C8	N2	H11	60.0°	177.6°
H13	C8	N2	H11	179.7°	57.7°
H1	C	H	H2	119.9°	120.0°

Release date:	2025-02-26
Definition date:	2024-11-11
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HOM